2177-86-8

Basic information

• Product Name: METHYL 2-METHYLOCTANOATE
• Synonyms: METHYL 2-METHYLOCTANOATE;2-Methyloctanoic acid methyl ester;Methyl ester of 2-methyloctanoic acid;Octanoic acid, 2-methyl-, methyl ester;7-methylcaprylic acid methyl ester
• CAS NO: 2177-86-8
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.26
• Mol File: 2177-86-8.mol
• Article Data: 29

Chemical Properties

• Boiling Point: 195.7 °C at 760 mmHg
• Flash Point: 71.4 °C
• Appearance: /
• Density: 0.872 g/cm³
• Vapor Pressure: 0.413mmHg at 25°C
• Refractive Index: 1.421
• CAS DataBase Reference: METHYL 2-METHYLOCTANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-METHYLOCTANOATE(2177-86-8)
• EPA Substance Registry System: METHYL 2-METHYLOCTANOATE(2177-86-8)

Safety Data

• Hazardous Substances Data: 2177-86-8(Hazardous Substances Data)

Usage

General Description

Methyl 2-methyloctanoate is a chemical compound with the molecular formula C9H18O2. It is a colorless liquid with a fruity odor and is commonly used as a flavor and fragrance ingredient in the food and beverage industry. It is also used as a chemical intermediate in the production of various other organic compounds. Methyl 2-methyloctanoate is known for its pleasant, fruity scent, which makes it a popular choice for adding a sweet and fruity aroma to products such as perfumes, soaps, and lotions. Additionally, it is used in the synthesis of pharmaceutical drugs and agrochemicals.

InChI:InChI=1/C10H20O2/c1-9(2)7-5-4-6-8-10(11)12-3/h9H,4-8H2,1-3H3

Upstream product

• 67-56-1 methanol 
• 111-66-0 oct-1-ene 
• 201230-82-2 carbon monoxide 
• 124-38-9 carbon dioxide 
• 3710-30-3 1,7-Octadiene 
• 111-67-1 2-octene 
• 592-99-4 4-octene 
• 14850-22-7 oct-3-ene 
• 64-18-6 formic acid 
• 14850-23-8 trans-4-Octene 
• 14919-01-8 (E)-3-octene 
• 107-31-3 Methyl formate 
• 629-27-6 1-Iodooctane 
• 111-85-3 n-chlorooctane 

Downstream Products

• 113711-63-0 1-(1-Methyl-heptyl)-cyclohexanol 
• 1610613-93-8 3,3′-O,O-(dotriacontane-1,32-diyl)bis{2-O-[(10RS)-10-methylhexadecyl]-sn-glycerol} 
• 1610613-90-5 1-O-benzyl-3-O-[(10RS)-10-methylheptadec-16-en-1-yl]-2-O-[(10RS)-methylhexadecyl]-sn-glycerol 
• 1610613-88-1 1-O-benzyl-3-O-(heptadec-16-en-1-yl)-2-O-[(10RS)-10-methylhexadecyl]-sn-glycerol 
• 117555-29-0 Toluene-4-sulfonic acid 2-methyl-octyl ester 
• 17001-26-2 (10RS)-10-methylhexadecanoic acid 
• 49642-49-1 2-methyl-1-octanal 
• 818-81-5 2-methyloctan-1-ol 

Relevant articles and documents

Ruthenium complex immobilized on supported ionic-liquid-phase (SILP) for alkoxycarbonylation of olefins with CO2

In this study, the heterogeneously catalyzed alkoxycarbonylation of olefins with CO2based on a supported ionic-liquid-phase (SILP) strategy is reported for the first time. An [Ru]@SILP catalyst was accessed by immobilization of ruthenium complex on a SILP, wherein imidazolium chloride was chemically integrated at the surface or in the channels of the silica gel support. An active Ru site was generated through reacting Ru3(CO)12with the decorated imidazolium chloride in a proper microenvironment. Different IL films, by varying the functionality of the side chain at the imidazolium cation, were found to strongly affect the porosity, active Ru sites, and CO2adsorption capacity of [Ru]@SILP, thereby considerably influencing its catalytic performance. The optimized [Ru]@SILP-A-2 displayed enhanced catalytic performance and prominent substrate selectivity compared to an independent homogeneous system under identical conditions. These findings provide the basis for a novel design concept for achieving both efficient and stable catalysts in the coupling of CO2with olefins.

Model of selectivity to methyl pelargonate in hydrocarbomethoxylation of 1-octene in the presence of the Pd(PPh3)2Cl2—PPh3—p-toluenesulfonic acid catalytic system

The model of selectivity to methyl pelargonate was developed for the hydrocarbomethoxylation of 1-octene catalyzed by the Pd(PPh3)2Cl2—PPh3—p-toluenesulfonic acid system (378 K). The ratio of the rate of methyl pelargonate formation to the sum of the rates of formation of three isomeric esters (reaction products) was accepted as the differential selectivity of the reaction. The model represents a system of equations relating the differential selectivity of the reaction to the CO pressure and concentrations of methanol, PPh3, and p-toluenesulfonic acid. The model adequately depicts the experimental data in a wide range of 1-octene conversions up to 95.5%. The regularities of a change in the reaction selectivity were substantiated using the hydride multiroute mechanism of hydrocarbomethoxylation of 1-octene.

Palladium(II) complexes of (pyridyl)imine ligands as catalysts for the methoxycarbonylation of olefins

Reactions of 2-methoxy-N-((pyridin-2-yl)methylene)ethanamine (L1), 2-((pyridin-2-yl)methyleneamino)ethanol (L2) and 3-methoxy-N-((pyridin-2-yl)methylene)propan-1-amine (L3) ligands with either [PdCl2(COD)] or [PdCl(Me)(COD)] produced the corresponding monometallic complexes [PdCl2(L1)] (1), [PdClMe(L1)] (2), [PdCl2(L2)] (3) and [PdCl2(L3)] (4). The solid state structure of complex 1 confirmed the bidentate coordination mode of L1, giving a distorted square planar geometry. All the complexes (1–4) formed active catalysts for the methoxycarbonylation of higher olefins to give linear and branched esters. The catalytic behavior of complexes 1–4 were influenced by both the complex structure and olefin chain length.